Geometry & MOs

Info

ID:	303243
PubChem CID:	124489404
Reduced:	ClFSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	362.02998
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	5.74
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(5-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)S(=O)(=O)C2=C(C(=CC=C2)Cl)F

DOS

IR

Vibrations